SCHEMBL2448804

SCHEMBL2448804

CCCCOC(=O)NC1C2CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
EPHX2 P34913 11/20 0.41
NAAA Q02083 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1578218 0.74 EPHX1 (0.38) ALDH1A1EPHX2
SCHEMBL1578220 0.74 EPHX1 (0.38) ALDH1A1EPHX2
SCHEMBL1934904 0.74 GAA (0.43) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL30075988 0.72 NAAA (0.42) ALDH1A1ATMNAAAGAAMAPK1
SCHEMBL533667 0.72 EPHX2 (0.62) L3MBTL1EPHX2
SCHEMBL533822 0.71 EPHX2 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL14973388 0.69 EPHX2 (0.40) MEN1KMT2AALDH1A1EPHX2
SCHEMBL12496107 0.68 NAAA (0.39) KMT2AALDH1A1MAPTEPHX2NAAA
SCHEMBL12832497 0.68 EPHX2 (0.50) L3MBTL1EPHX2
SCHEMBL6452242 0.67 EPHX2 (0.52) MEN1KMT2AALDH1A1MAPTATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364311-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI (FR) 2011-09-14 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 WO disclosed